| SpectraBase Spectrum ID |
LkRPCqGNBiz |
| Name |
cis-2-Methyl-4-tert.-butyl-cyclohexanone,cis-4-(1,1-dimethylethyl)-2-methyl-cyclohexanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
168.151415263 u |
| Formula |
C11H20O |
| InChI |
InChI=1S/C11H20O/c1-8-7-9(11(2,3)4)5-6-10(8)12/h8-9H,5-7H2,1-4H3 |
| InChIKey |
LYCRAZFAMQOPDJ-UHFFFAOYSA-N |
| Molecular Weight |
168.280 g/mol |
| SMILES |
C1(=O)C(CC(C(C)(C)C)CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.978072 |
